(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

C16H20N4O2 — CID 155492969

IUPAC(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCOc1ccc(C)nc1N1C[C@@H](Cc2cnccn2)[C@H](O)C1
InChIInChI=1S/C16H20N4O2/c1-11-3-4-15(22-2)16(19-11)20-9-12(14(21)10-20)7-13-8-17-5-6-18-13/h3-6,8,12,14,21H,7,9-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyZZTXZQOLGXIXGB-TZMCWYRMSA-N
MW300.36 g/mol
LogP1.23
Rot. Bonds4

About (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 155492969) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID155492969
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCOc1ccc(C)nc1N1C[C@@H](Cc2cnccn2)[C@H](O)C1
InChIInChI=1S/C16H20N4O2/c1-11-3-4-15(22-2)16(19-11)20-9-12(14(21)10-20)7-13-8-17-5-6-18-13/h3-6,8,12,14,21H,7,9-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyZZTXZQOLGXIXGB-TZMCWYRMSA-N
XLogP1.23
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol with MolForge

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Related Compounds

(3S,4R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134697893
(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 155501660
3-(3,4-dimethoxyphenyl)-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 134701706
(3S,4R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134706673
(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 166619181
1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 134712291
(3S,4R)-1-[1-(3-chloro-4-methylphenyl)piperidin-4-yl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134706131
(3S,4R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 155505600
(3S,4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135107162
(3S,4R)-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135110363
(3,4-diethoxyphenyl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 135117051
(3S,4R)-1-(cyclohexylmethyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134703983

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (CID 155492969) is (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is COc1ccc(C)nc1N1C[C@@H](Cc2cnccn2)[C@H](O)C1.
What is the InChIKey of (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is ZZTXZQOLGXIXGB-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-3-4-15(22-2)16(19-11)20-9-12(14(21)10-20)7-13-8-17-5-6-18-13/h3-6,8,12,14,21H,7,9-10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 300.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155492969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).